Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt supplier

Name
DICYCLOHEXYL SULFOSUCCINATE SODIUM SALT
EINECS 245-629-3
CAS No. 23386-52-9
Density 1.269[at 20℃]
Solubility 74.15g/L at 20℃
Melting Point
Formula C₁₆H₂₅NaO₇S
Boiling Point 247℃[at 101 325 Pa]
Molecular Weight 384.12
Flash Point
Transport Information
Appearance
Safety 26
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms Butanedioicacid, sulfo-, 1,4-dicyclohexyl ester, sodium salt (9CI);Succinic acid, sulfo-,1,4-dicyclohexyl ester, sodium salt (8CI);Succinic acid, sulfo-, dicyclohexylester, sodium salt (6CI);Aerosol A 196;Dicyclohexyl sodiosulfosuccinate;Gemtex 691-40;Pelex CS;Sodium dicyclohexyl sulfosuccinate;
PSA 118.18000
LogP 3.12290

Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt Specification

The Butanedioic acid,2-sulfo-, 1,4-dicyclohexyl ester, sodium salt (1:1), with the CAS registry number 23386-52-9, is also known as 1,4-Dicyclohexyl sulfobutanedioate sodium salt. Its EINECS registry number is 245-629-3. This chemical's molecular formula is C₁₆H₂₅NaO₇S and molecular weight is 384.42027. Its IUPAC name is called sodium 1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonate. This chemical's classification code is Skin / Eye Irritant.

Physical properties of Butanedioic acid,2-sulfo-, 1,4-dicyclohexyl ester, sodium salt (1:1): (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 115.35 Å².

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)[O-].[Na+]
(2)InChI: InChI=1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1
(3)InChIKey: UELAIMNOXLAYRW-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	skin	5gm/kg (5000mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 108, 1990.
rat	LD50	oral	3540mg/kg (3540mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 108, 1990.

Product Name

DICYCLOHEXYL SULFOSUCCINATE SODIUM SALT

Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt Specification

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